input word = C00042629

Metabolite InformationStructural formula
Name Isocalolongic acid
Formula C22H28O6
Mw 388.18858863
CAS RN 40737-92-6
C_ID C00042629 ,
InChIKey MXFUJXIOAUPXPT-UHFFFAOYNA-N
InChICode InChI=1S/C22H28O6/c1-6-7-13(10-15(23)24)16-19(26)17-18(25)11(2)12(3)27-20(17)14-8-9-22(4,5)28-21(14)16/h8-9,11-13,26H,6-7,10H2,1-5H3,(H,23,24)/t11-,12+,13-/m1/s1
SMILES CCCC(CC(=O)O)c1c(O)c2c(c3c1OC(C)(C)C=C3)OC(C)C(C)C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum membranaceum Ref.
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum recedens Ref.
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OrganismCalophyllum recedens
ReferenceGuerriero,Phytochem.,12,(1973),185